4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide

C26H27N5O3 — CID 170429715

About 4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 170429715) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
• PubChem CID: 170429715
• Molecular Formula: C26H27N5O3
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.21
• IUPAC Name: 4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
• SMILES: CN(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)C1COc2cc(C3CCOCC3)ccc21
• InChI: InChI=1S/C26H27N5O3/c1-30(22-14-34-23-12-16(3-5-18(22)23)15-7-9-33-10-8-15)26(32)17-4-6-21-19(11-17)24-20(25(27)29-21)13-28-31(24)2/h3-6,11-13,15,22H,7-10,14H2,1-2H3,(H2,27,29)
• InChIKey: KFXXLUORZJWTIK-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?

The IUPAC name of 4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 170429715) is 4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.

What is the SMILES notation for 4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?

The canonical SMILES for 4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is CN(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)C1COc2cc(C3CCOCC3)ccc21.

What is the InChIKey of 4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?

The InChIKey is KFXXLUORZJWTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-30(22-14-34-23-12-16(3-5-18(22)23)15-7-9-33-10-8-15)26(32)17-4-6-21-19(11-17)24-20(25(27)29-21)13-28-31(24)2/h3-6,11-13,15,22H,7-10,14H2,1-2H3,(H2,27,29).

What are the key properties of 4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?

4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N,1-dimethyl-N-[6-(oxan-4-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 170429715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).